7-(3-benzylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C123H107N25O11S6 — CID 160950818

About 7-(3-benzylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-(3-benzylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 160950818) has the molecular formula C123H107N25O11S6 and a molecular weight of 2303.77 g/mol. Its IUPAC name is 7-(3-benzylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-(3-benzylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 160950818
• Molecular Formula: C123H107N25O11S6
• Molecular Weight: 2303.77 g/mol
• Exact Mass: 2301.69
• IUPAC Name: 7-(3-benzylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: Cc1cc2nc(-c3ccccn3)[nH]c(=O)c2s1.Cc1ccc(CC2CN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CCN2)cc1.Cc1cccc(N2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c1.Cc1ccccc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1ccccc1C1CN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CCO1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCNC(Cc2ccccc2)C1
• InChI: InChI=1S/C24H23N5O2S.2C23H21N5O2S.C23H20N4O3S.C18H13N3OS.C12H9N3OS/c1-15-5-7-16(8-6-15)12-17-13-29(11-10-25-17)24(31)18-14-32-21-20(18)27-22(28-23(21)30)19-4-2-3-9-26-19;1-15-5-4-6-16(13-15)27-9-11-28(12-10-27)23(30)17-14-31-20-19(17)25-21(26-22(20)29)18-7-2-3-8-24-18;29-22-20-19(26-21(27-22)18-8-4-5-9-25-18)17(14-31-20)23(30)28-11-10-24-16(13-28)12-15-6-2-1-3-7-15;1-14-6-2-3-7-15(14)18-12-27(10-11-30-18)23(29)16-13-31-20-19(16)25-21(26-22(20)28)17-8-4-5-9-24-17;1-11-6-2-3-7-12(11)13-10-23-16-15(13)20-17(21-18(16)22)14-8-4-5-9-19-14;1-7-6-9-10(17-7)12(16)15-11(14-9)8-4-2-3-5-13-8/h2-9,14,17,25H,10-13H2,1H3,(H,27,28,30);2-8,13-14H,9-12H2,1H3,(H,25,26,29);1-9,14,16,24H,10-13H2,(H,26,27,29);2-9,13,18H,10-12H2,1H3,(H,25,26,28);2-10H,1H3,(H,20,21,22);2-6H,1H3,(H,14,15,16)
• InChIKey: SVSRTRGSPIGIJS-UHFFFAOYSA-N
• XLogP: 18.98
• TPSA: 469.61 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 17
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2303.77
LogP ≤ 5	18.98
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 7-(3-benzylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-(3-benzylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 160950818) is 7-(3-benzylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-(3-benzylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-(3-benzylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is Cc1cc2nc(-c3ccccn3)[nH]c(=O)c2s1.Cc1ccc(CC2CN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CCN2)cc1.Cc1cccc(N2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c1.Cc1ccccc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1ccccc1C1CN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CCO1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCNC(Cc2ccccc2)C1.

What is the InChIKey of 7-(3-benzylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is SVSRTRGSPIGIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S.2C23H21N5O2S.C23H20N4O3S.C18H13N3OS.C12H9N3OS/c1-15-5-7-16(8-6-15)12-17-13-29(11-10-25-17)24(31)18-14-32-21-20(18)27-22(28-23(21)30)19-4-2-3-9-26-19;1-15-5-4-6-16(13-15)27-9-11-28(12-10-27)23(30)17-14-31-20-19(17)25-21(26-22(20)29)18-7-2-3-8-24-18;29-22-20-19(26-21(27-22)18-8-4-5-9-25-18)17(14-31-20)23(30)28-11-10-24-16(13-28)12-15-6-2-1-3-7-15;1-14-6-2-3-7-15(14)18-12-27(10-11-30-18)23(29)16-13-31-20-19(16)25-21(26-22(20)28)17-8-4-5-9-24-17;1-11-6-2-3-7-12(11)13-10-23-16-15(13)20-17(21-18(16)22)14-8-4-5-9-19-14;1-7-6-9-10(17-7)12(16)15-11(14-9)8-4-2-3-5-13-8/h2-9,14,17,25H,10-13H2,1H3,(H,27,28,30);2-8,13-14H,9-12H2,1H3,(H,25,26,29);1-9,14,16,24H,10-13H2,(H,26,27,29);2-9,13,18H,10-12H2,1H3,(H,25,26,28);2-10H,1H3,(H,20,21,22);2-6H,1H3,(H,14,15,16).

What are the key properties of 7-(3-benzylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

7-(3-benzylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 2303.77 g/mol, XLogP of 18.98, 17 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-benzylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 160950818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).